4-[4-[[(3-chlorophenyl)amino]carbamoyl]piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[(3-chlorophenyl)amino]carbamoyl]piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-[(3-chloroanilino)carbamoyl]-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[(3-chlorophenyl)hydrazo]-oxomethyl]-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(3-chloroanilino)carbamoyl]piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(3-chloroanilino)carbamoyl]piperidino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H22ClN5O4S MolecularWeight: 439.91638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NNC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN5O4S/c1-23-11-15(10-16(23)17(20)25)29(27,28)24-7-5-12(6-8-24)18(26)22-21-14-4-2-3-13(19)9-14/h2-4,9-12,21H,5-8H2,1H3,(H2,20,25)(H,22,26)